PASCAL - Pattern Analysis, Statistical Modelling and Computational Learning

EPrints submitted by Matthias Rupp

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Number of EPrints submitted by this user: 3

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller and O. Anatole von Lilienfeld
Physical Review Letters Volume 108, Number 5, 058301, 2012. ISSN 1079-7114

Spherical Harmonics Coefficients for Ligand-Based Virtual Screening of Cyclooxygenase Inhibitors
Quan Wang, Kerstin Birod, Carlo Angioni, Sabine Grösch, Tim Geppert, Petra Schneider, Matthias Rupp and Gisbert Schneider
PLoS ONE Volume 6, Number 7, e21554, 2011.

Graph Kernels
Matthias Rupp
In: Machine Learning Approach for Network Analysis: Novel Graph Classes for Classification Techniques (2011) Wiley .